› 7s98

X-ray diffraction
1.9Å resolution

Cryogenic Human Hsp90a-NTD bound to N6M

Released:
DOI: 10.2210/pdb7s98/pdb
PDB entry 7s98 coloured by chain, front view.
PDB entry 7s98 coloured by chain, side view.
PDB entry 7s98 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Stachowski TR, Vanarotti M, Seetharaman J, Lopez K, Fischer M
Angew Chem Int Ed Engl 61 e202112919 (2022)
PMID: 35648650

Function and Biology Details

Reaction catalysed: 
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139817 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock protein HSP 90-alpha Chain: A
Molecule details ›
Chain: A
Length: 237 amino acids
Theoretical weight: 26.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P07900 (Residues: 1-236; Coverage: 32%)
Gene names: HSP90A, HSP90AA1, HSPC1, HSPCA
Sequence domains: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase

Ligands and Environments

1 bound ligand:
Ligand N6M 1 x N6M
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: I222
Unit cell:
a: 65.827Å b: 89.842Å c: 101.695Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.216
Expression system: Escherichia coli

Quick links

Citations

6 citation in other articles

Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Stachowski et al. (2022)
5 more